3-[(2-pyridin-2-ylcarbonylphenyl)methyl]benzenesulfonic acid

Systemtic Name: 3-[(2-pyridin-2-ylcarbonylphenyl)methyl]benzenesulfonic acid Openeye Name: 3-[[2-(pyridine-2-carbonyl)phenyl]methyl]benzenesulfonic acid CAS Name: 3-[[2-[oxo(2-pyridinyl)methyl]phenyl]methyl]benzenesulfonic acid IUPAC Name: 3-[[2-(pyridine-2-carbonyl)phenyl]methyl]benzenesulfonic acid Traditional Name: 3-(2-picolinoylbenzyl)besylic acid Formula: C19H15NO4S MolecularWeight: 353.3917

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC(=CC=C2)S(=O)(=O)O)C(=O)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC(=CC=C2)S(=O)(=O)O)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C19H15NO4S/c21-19(18-10-3-4-11-20-18)17-9-2-1-7-15(17)12-14-6-5-8-16(13-14)25(22,23)24/h1-11,13H,12H2,(H,22,23,24)